Molecule

ID:28761

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇Cl₂NO₂
Molecular Mass
326.21768
Exact Mass
325.06363415
Charge
0
InChI
InChI=1S/C16H17Cl2NO2/c1-20-5-6-21-16-4-2-3-15(10-16)19-11-12-7-13(17)9-14(18)8-12/h2-4,7-10,19H,5-6,11H2,1H3
InChIKey
LLJHXIFEOPZJGK-UHFFFAOYSA-N
Canonic Smiles
COCCOc1cccc(c1)NCc1cc(Cl)cc(c1)Cl
Isomeric Smiles
c1c(cc(cc1Cl)CNc1cc(OCCOC)ccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.169969
LogD (pH = 7.4)
4.1738896
Log P
4.1739397
Molar Refractivity
87.9807
Polarizability
33.539474
Polar Surface Area
30.49
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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